7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one

C15H12N2O3 — CID 16782298

IUPAC7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3ncccc3N)ccc12
InChIInChI=1S/C15H12N2O3/c1-9-7-14(18)20-13-8-10(4-5-11(9)13)19-15-12(16)3-2-6-17-15/h2-8H,16H2,1H3
InChIKeyABRQRNVVPPQJAQ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.87
Rot. Bonds2

About 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one

7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one (PubChem CID 16782298) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
PubChem CID16782298
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3ncccc3N)ccc12
InChIInChI=1S/C15H12N2O3/c1-9-7-14(18)20-13-8-10(4-5-11(9)13)19-15-12(16)3-2-6-17-15/h2-8H,16H2,1H3
InChIKeyABRQRNVVPPQJAQ-UHFFFAOYSA-N
XLogP2.87
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 66317999
(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide
CID 95860265
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one
CID 80752233
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one
CID 31905824
6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
CID 64594177

Frequently Asked Questions

What is the IUPAC name of 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one (CID 16782298) is 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(Oc3ncccc3N)ccc12.
What is the InChIKey of 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one?
The InChIKey is ABRQRNVVPPQJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-7-14(18)20-13-8-10(4-5-11(9)13)19-15-12(16)3-2-6-17-15/h2-8H,16H2,1H3.
What are the key properties of 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one?
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one is sourced from PubChem (CID 16782298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).